2-butyl-1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 2-butyl-1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 2-butyl-1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 2-butyl-1-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-3-methyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 2-butyl-1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 2-butyl-1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C23H30N5O+ MolecularWeight: 392.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CC[NH+](CC4)CCO

Isomeric SMILES

CCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)N4CC[NH+](CC4)CCO

InChI

InChI=1S/C23H29N5O/c1-3-4-7-18-17(2)19(16-24)22-25-20-8-5-6-9-21(20)28(22)23(18)27-12-10-26(11-13-27)14-15-29/h5-6,8-9,29H,3-4,7,10-15H2,1-2H3/p+1